(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

C18H25N3O2 — CID 97364670

IUPAC(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21
InChIInChI=1S/C18H25N3O2/c22-18(20-14-4-3-7-19-8-14)17-12-23-11-13-9-21(10-16(13)17)15-5-1-2-6-15/h3-4,7-8,13,15-17H,1-2,5-6,9-12H2,(H,20,22)/t13-,16-,17+/m1/s1
InChIKeyCJLOEOJBIOBKSB-XYPHTWIQSA-N
MW315.42 g/mol
LogP2.16
Rot. Bonds3

About (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (PubChem CID 97364670) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.

Molecular Properties

Compound Name(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
PubChem CID97364670
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21
InChIInChI=1S/C18H25N3O2/c22-18(20-14-4-3-7-19-8-14)17-12-23-11-13-9-21(10-16(13)17)15-5-1-2-6-15/h3-4,7-8,13,15-17H,1-2,5-6,9-12H2,(H,20,22)/t13-,16-,17+/m1/s1
InChIKeyCJLOEOJBIOBKSB-XYPHTWIQSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide with MolForge

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Related Compounds

(3aR,7R,7aR)-2-cyclopentyl-N-(2-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97364680
(3R,3aS,6aS)-5-(oxan-4-yl)-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486367
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
(3aR,7S,7aR)-2-(1-methylcyclohex-3-ene-1-carbonyl)-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 131689993
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
2-[(3aS,9aS,9bR)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 129424050
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
(3aS,7S,7aS)-N-pyrazin-2-yl-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 124781757

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The IUPAC name of (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (CID 97364670) is (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.
What is the SMILES notation for (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The canonical SMILES for (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is O=C(Nc1cccnc1)[C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21.
What is the InChIKey of (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The InChIKey is CJLOEOJBIOBKSB-XYPHTWIQSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(20-14-4-3-7-19-8-14)17-12-23-11-13-9-21(10-16(13)17)15-5-1-2-6-15/h3-4,7-8,13,15-17H,1-2,5-6,9-12H2,(H,20,22)/t13-,16-,17+/m1/s1.
What are the key properties of (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
(3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-2-cyclopentyl-N-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is sourced from PubChem (CID 97364670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).